Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.50200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06684
0.00000
0.00000
2
0.03328
0.00000
0.00000
3
0.01214
0.00000
-0.05171
4
0.01214
0.00000
0.05171
5
0.00192
0.00000
-0.08648
6
0.00192
0.00000
0.08648
7
0.03884
0.00000
0.05524
8
0.03884
0.00000
-0.05524
9
-0.07051
0.00000
0.04332
10
-0.07051
0.00000
-0.04332
11
-0.04362
0.00000
0.09997
12
-0.04362
0.00000
-0.09997
13
0.06579
0.00000
-0.08341
14
0.06579
0.00000
0.08341
15
0.05050
0.00000
0.03715
16
0.05050
0.00000
-0.03715
17
-0.05750
0.00000
0.06904
18
-0.05750
0.00000
-0.06904
19
0.07423
0.00000
0.18426
20
0.07423
0.00000
-0.18426